CID 43263505

1-{4-[ethyl(methyl)amino]phenyl}ethan-1-one

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCN(C)C1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C11H15NO/c1-4-12(3)11-7-5-10(6-8-11)9(2)13/h5-8H,4H2,1-3H3

InChIKey

KOMXLIJZBSDJML-UHFFFAOYSA-N

Compound name

1-[4-[ethyl(methyl)amino]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 177.11537 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.122646	138.8
[M+Na]+	200.104588	145.6
[M-H]-	176.108094	143.9
[M+NH4]+	195.149193	159.5
[M+K]+	216.078528	145.0
[M+H-H2O]+	160.112630	132.6
[M+HCOO]-	222.113571	163.7
[M+CH3COO]-	236.129221	188.8
[M+Na-2H]-	198.090036	143.6
[M]+	177.11482142	140.4
[M]-	177.11591858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe